SCHEMBL11680786

SCHEMBL11680786

CSc1cc(C(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.64
TSHR P16473 2/20 0.63
LMNA P02545 1/20 0.54
HCAR3 P49019 9/20 0.54
APEX1 P27695 1/20 0.54
POLB P06746 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3866808 0.87 APEX1 (0.66) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL29140441 0.86 CASP6 (0.68) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL12768130 0.83 CASP6 (0.58) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL18779398 0.79 MEN1 (0.74) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL29577830 0.78 CASP6 (1.00) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL504055 0.78 CASP6 (1.00) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL1609806 0.78 CASP6 (0.66) CASP6TSHRLMNAHCAR3POLB
SCHEMBL11682676 0.78 MEN1 (0.49) TSHRHCAR3POLBMEN1KMT2A
SCHEMBL264768 0.77 TSHR (1.00) CASP6TSHRLMNAHCAR3POLB
SCHEMBL2935849 0.77 BACE1 (0.45) CASP6TSHRMEN1KMT2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11396508-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2022-07-26 US disclosed
US-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-01 US disclosed
US-10647713-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-05-12 US disclosed
CN-110300590-A TYK2 inhibitor and application thereof 林伯士拉克许米公司 2019-10-01 CN disclosed
EP-3528816-A1 TYK2 INHIBITORS AND USES THEREOF Nimbus Lakshmi, Inc. (US) 2019-08-28 EP disclosed
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 US disclosed
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 US disclosed
WO-2018075937-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2018-04-26 WO disclosed
US-8962244-B2 Compounds for modulating RNA binding proteins and uses therefor UNIVERSITY OF MASSACHUSETTS (US) 2015-02-24 US disclosed
US-20130217685-A1 COMPOUNDS FOR MODULATING RNA BINDING PROTEINS AND USES THEREFOR UNIVERSITY OF MASSACHUSETTS (US) 2013-08-22 US disclosed
US-8377639-B2 Compounds for modulating RNA binding proteins and uses therefor UNIVERSITY OF MASSACHUSETTS (US) 2013-02-19 US disclosed
US-20110065704-A1 COMPOUNDS FOR MODULATING RNA BINDING PROTEINS AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-03-17 US disclosed
US-4014932-A ANTHELMINTICS, PESTICIDES, MITICIDES, INSECTICIDES THE UPJOHN COMPANY (US) 1977-03-29 US disclosed
US-3931318-A ANTHELMINTICS, PESTICIDES THE UPJOHN COMPANY (US) 1976-01-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130217685-A1 COMPOUNDS FOR MODULATING RNA BINDING PROTEINS AND USES THEREFOR TIA1, ZFP3, RBM3 CASP6 3527/4885TSHR 4273/4885LMNA 2017/4885
US-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CASP6 4422/4885TSHR 1652/4885LMNA 2078/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CASP6 4422/4885TSHR 1652/4885LMNA 2078/4885
US-10647713-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 CASP6 4422/4885TSHR 1652/4885LMNA 2078/4885
US-20110065704-A1 COMPOUNDS FOR MODULATING RNA BINDING PROTEINS AND USES THEREFOR TIA1, ZFP3, RBM3 CASP6 3527/4885TSHR 4273/4885LMNA 2017/4885
US-11396508-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 CASP6 4422/4885TSHR 1652/4885LMNA 2078/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.